Crystallography Open Database

Information card for entry 4123915

Preview

Coordinates	4123915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H48 Cd8 Cl5 N40 O6
Calculated formula	C96 H48 Cd8 Cl5 N40 O6
Title of publication	A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.
Authors of publication	Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	24
Pages of publication	7740 - 7746
a	21.599 ± 0.002 Å
b	21.599 ± 0.002 Å
c	19.383 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9042 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.1106
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176428 (current)	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.	4123915.cif
140031	2015-07-04	cif/ Adding structures of 4123915 via cif-deposit CGI script.	4123915.cif