Crystallography Open Database

Information card for entry 7216489

Preview

Coordinates	7216489.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{(±)-2,7,12-tripropoxy-3,8,13- tris(2-quinolylmethyl)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononene}silver(I) cobalt(III) bis(dicarbollide) nitromethane
Formula	C129.5 H163.5 Ag2 B36 Co2 N7.5 O15
Calculated formula	C129.5 H163.5 Ag2 B36 Co2 N7.5 O15
Title of publication	Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation
Authors of publication	Henkelis, James J.; Hardie, Michaele J.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	35
Pages of publication	8138
a	19.3628 ± 0.0007 Å
b	43.7924 ± 0.0011 Å
c	16.6371 ± 0.0006 Å
α	90°
β	90.525 ± 0.003°
γ	90°
Cell volume	14106.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.135
Residual factor for significantly intense reflections	0.1128
Weighted residual factors for significantly intense reflections	0.3054
Weighted residual factors for all reflections included in the refinement	0.3462
Goodness-of-fit parameter for all reflections included in the refinement	1.377
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216489.cif
123384	2014-09-08	cif/ Updating files of 7216487, 7216488, 7216489, 7216490 Original log message: Adding full bibliography for 7216487--7216490.cif.	7216489.cif
116413	2014-06-11	cif/ Adding structures of 7216487, 7216488, 7216489, 7216490 via cif-deposit CGI script.	7216489.cif