Crystallography Open Database

Information card for entry 7111365

Preview

Coordinates	7111365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 Cd2 N4 O15
Calculated formula	C48 H45 Cd2 N4 O15
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	10.5609 ± 0.0002 Å
b	12.7878 ± 0.0002 Å
c	18.5575 ± 0.0002 Å
α	80.636 ± 0.001°
β	85.732 ± 0.001°
γ	72.991 ± 0.001°
Cell volume	2363.69 ± 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	0.0591
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7111365.cif
180227	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/13.	7111365.cif
96459	2014-01-29	cif/ Adding structures of 7111365, 7111366 via cif-deposit CGI script.	7111365.cif