Crystallography Open Database

Information card for entry 7111366

Preview

Coordinates	7111366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H43 Cd2 N4 O11.5
Calculated formula	C40 H36 Cd2 N4 O11.5
Title of publication	Isomer separation, conformation control of flexible cyclohexanedicarboxylate ligand in cadmium complexes
Authors of publication	Bi, Wenhua; Cao, Rong; Sun, Daofeng; Yuan, Daqiang; Li, Xing; Wang, Yanqin; Li, Xiaoju; Hong, Maochun
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2004
Journal issue	18
Pages of publication	2104 - 2105
a	11.6798 ± 0.0002 Å
b	13.006 ± 0.0001 Å
c	14.1926 ± 0.0003 Å
α	90.833 ± 0.001°
β	113.679 ± 0.001°
γ	90.223 ± 0.001°
Cell volume	1974.13 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275110 (current)	2022-05-06	cif/7/11/13/ Updated bibliographic information in entries 7111365, 7111366.	7111366.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111366.cif
96459	2014-01-29	cif/ Adding structures of 7111365, 7111366 via cif-deposit CGI script.	7111366.cif