Crystallography Open Database

Information card for entry 4512895

Preview

Coordinates	4512895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H42 Co2 N4 O16
Calculated formula	C53 H42 Co2 N4 O16
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	46.33 ± 0.007 Å
b	10.727 ± 0.0015 Å
c	23.714 ± 0.003 Å
α	90°
β	95.872 ± 0.003°
γ	90°
Cell volume	11724 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	0.801
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.	4512895.cif
138065	2015-06-05	cif/ Updating files of 4512895, 4512896, 4512897, 4512898, 4512899, 4512900, 4512901 Original log message: Adding full bibliography for 4512895--4512901.cif.	4512895.cif
136221	2015-05-13	cif/ Adding structures of 4512895, 4512896, 4512897, 4512898, 4512899, 4512900, 4512901 via cif-deposit CGI script.	4512895.cif