Crystallography Open Database

Information card for entry 1519434

1519433 << 1519434 >> 1519435

Preview

Coordinates	1519434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H132 Co4 F48 N24 P4.96 Sb3.04
Calculated formula	C156 H132 Co4 F47.997 N24 P4.958 Sb3.042
SMILES	c1(ccc(cc1)C)[N]1=Cc2[n]3cc(cc2)c2c[n]4c(cc2)C=[N](c2ccc(cc2)C)[Co]2564[n]4c(ccc(c7ccc8[n]([Co]9%10%11([n]%12cc(c%13ccc%14[n](c%13)[Co]%1313([N](=C%14)c1ccc(cc1)C)[N](=Cc1ccc(c3c[n]%14c(cc3)C=[N]([Co]3%15%14([N](=Cc%14ccc(c[n]3%14)c3c[n]%10c(cc3)C=[N]%11c3ccc(cc3)C)c3ccc(C)cc3)[N](=Cc3[n]%15cc(c%10ccc(C=[N]6c6ccc(C)cc6)[n]5c%10)cc3)c3ccc(C)cc3)c3ccc(C)cc3)c[n]%131)c1ccc(cc1)C)ccc%12C=[N]9c1ccc(cc1)C)[N](=C8)c1ccc(cc1)C)c7)c4)C=[N]2c1ccc(cc1)C.[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[F-][Sb](F)(F)(F)(F)F
Title of publication	Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests
Authors of publication	Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	6
Pages of publication	3533
a	43.7451 ± 0.0007 Å
b	25.115 ± 0.0004 Å
c	39.7763 ± 0.001 Å
α	90°
β	100.245 ± 0.002°
γ	90°
Cell volume	43003.8 ± 1.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.115
Residual factor for significantly intense reflections	0.1016
Weighted residual factors for significantly intense reflections	0.2879
Weighted residual factors for all reflections included in the refinement	0.3025
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
192777 (current)	2017-03-02	cod/ Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the 'cod-tools' repository (rev. 5000). The correction was mainly focused on removing misspelt versions of the '_symmetry_Int_Tables' and '_space_group_IT_number' data items.	1519434.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519434.cif
138479	2015-06-07	cif/ Updating files of 1519432, 1519433, 1519434, 1519435 Original log message: Adding full bibliography for 1519432--1519435.cif.	1519434.cif
135804	2015-05-09	cif/ Adding structures of 1519432, 1519433, 1519434, 1519435 via cif-deposit CGI script.	1519434.cif