Crystallography Open Database

Information card for entry 7224550

Preview

Coordinates	7224550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 Co N12 O12
Calculated formula	C54 H52 Co N12 O12
Title of publication	Cobalt coordination polymers regulated by in situ ligand transformation
Authors of publication	Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	15
Pages of publication	2742
a	24.9004 ± 0.0016 Å
b	7.9696 ± 0.0006 Å
c	27.613 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5479.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1167
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.2067
Weighted residual factors for all reflections included in the refinement	0.2357
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
182646 (current)	2016-05-06	cif/ Updating files of 7224550, 7224551, 7224552 Original log message: Adding full bibliography for 7224550--7224552.cif.	7224550.cif
178063	2016-03-10	cif/ Adding structures of 7224550, 7224551, 7224552 via cif-deposit CGI script.	7224550.cif