Crystallography Open Database

Information card for entry 7224086

Preview

Coordinates	7224086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 Co7 N6 O35
Calculated formula	C54 H42 Co7 N6 O35
Title of publication	A new Co-nitroimidazolate‒dicarboxylate pillared-layer network with various types of channels and ultra-large cages for gas uptake
Authors of publication	Guo, Xiao-Qing; Wang, Miao; Tang, Yan-Feng; Meng, Fei; Jiang, Guo-Qing; Zhu, Jin-Li
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	10
Pages of publication	1768
a	24.6165 ± 0.0009 Å
b	35.8569 ± 0.0015 Å
c	30.2783 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	26725.8 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1094
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.23
Weighted residual factors for all reflections included in the refinement	0.2494
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
177748 (current)	2016-03-05	cif/ Updating files of 7224086 Original log message: Adding full bibliography for 7224086.cif.	7224086.cif
175394	2016-02-02	cif/ Adding structures of 7224086 via cif-deposit CGI script.	7224086.cif