Crystallography Open Database

Information card for entry 7118048

Preview

Coordinates	7118048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H66 Cd4 N12 O29
Calculated formula	C69 H66 Cd4 N12 O29
Title of publication	Asymmetric induction in homochiral MOFs: from interweaving double helices to single helices
Authors of publication	Wu, Xin; Zhang, Hua-Bin; Xu, Zhong-Xuan; Zhang, Jian
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2015
Journal volume	51
Journal issue	91
Pages of publication	16331 - 16333
a	26.9207 ± 0.0009 Å
b	26.9207 ± 0.0009 Å
c	20.9044 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	13120.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
210891 (current)	2018-09-12	cif/7/11/80/ Updating bibliography in entries 7118048-7118049, 7118059-7118060. Marking entries 7118059-7118060 as duplicates of entries 7118048-7118049.	7118048.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7118048.cif
170151	2015-11-07	cif/ Adding structures of 7118048, 7118049 via cif-deposit CGI script.	7118048.cif