Crystallography Open Database

Information card for entry 1519435

1519434 << 1519435 >> 1519436

Preview

Coordinates	1519435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C390 H330 Br Cl19 N60 O76 Zn10
Calculated formula	C390 H330 Br1.004 Cl15 N60 O60 Zn10
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	21.4814 ± 0.0019 Å
b	30.514 ± 0.002 Å
c	34.022 ± 0.003 Å
α	90°
β	97.399 ± 0.004°
γ	90°
Cell volume	22115 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1667
Residual factor for significantly intense reflections	0.1249
Weighted residual factors for significantly intense reflections	0.3228
Weighted residual factors for all reflections included in the refinement	0.3585
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
138479 (current)	2015-06-07	cif/ Updating files of 1519432, 1519433, 1519434, 1519435 Original log message: Adding full bibliography for 1519432--1519435.cif.	1519435.cif
135804	2015-05-09	cif/ Adding structures of 1519432, 1519433, 1519434, 1519435 via cif-deposit CGI script.	1519435.cif