Crystallography Open Database

Information card for entry 7212767

Preview

Coordinates	7212767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 Cd N6 O6
Calculated formula	C23 H16 Cd N6 O6
Title of publication	Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands
Authors of publication	Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	7
Pages of publication	2040
a	9.0723 ± 0.001 Å
b	9.0723 ± 0.001 Å
c	27.01 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2223.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
180458 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27.	7212767.cif
93270	2014-01-12	cif/ Adding structures of 7212766, 7212767, 7212768 via cif-deposit CGI script.	7212767.cif