Crystallography Open Database

Information card for entry 7220972

7220971 << 7220972 >> 7220973

Preview

Coordinates	7220972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H46 Co3 N6 O14
Calculated formula	C60 H46 Co3 N6 O14
Title of publication	A unique “cage-in-cage” metal‒organic framework based on nested cages from interpenetrated networks
Authors of publication	Zhou, Ting-Ting; Xuan, Zhi-Hong; Zhang, Da-Shuai; Chang, Ze; Zhang, Ying-Hui; Bu, Xian-He
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	31
Pages of publication	5884
a	38.012 ± 0.007 Å
b	38.012 ± 0.007 Å
c	29.603 ± 0.012 Å
α	90°
β	90°
γ	120°
Cell volume	37043 ± 18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0898
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1831
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	7220972.cif
153113	2015-08-08	cif/ Updating files of 7220972 Original log message: Adding full bibliography for 7220972.cif.	7220972.cif
139897	2015-07-02	cif/ Adding structures of 7220972 via cif-deposit CGI script.	7220972.cif