Crystallography Open Database

Information card for entry 4512900

Preview

Coordinates	4512900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H43 Co2 N4 O18 S2
Calculated formula	C53 H43 Co2 N4 O18 S2
Title of publication	Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids
Authors of publication	Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	5
Pages of publication	2272
a	13.59 ± 0.003 Å
b	16.408 ± 0.003 Å
c	17.371 ± 0.004 Å
α	65.056 ± 0.003°
β	88.239 ± 0.004°
γ	68.768 ± 0.004°
Cell volume	3239.5 ± 1.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1202
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.2084
Weighted residual factors for all reflections included in the refinement	0.2189
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
138065 (current)	2015-06-05	cif/ Updating files of 4512895, 4512896, 4512897, 4512898, 4512899, 4512900, 4512901 Original log message: Adding full bibliography for 4512895--4512901.cif.	4512900.cif
136221	2015-05-13	cif/ Adding structures of 4512895, 4512896, 4512897, 4512898, 4512899, 4512900, 4512901 via cif-deposit CGI script.	4512900.cif