Crystallography Open Database

Information card for entry 7220386

7220385 << 7220386 >> 7220387

Preview

Coordinates	7220386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H Cu N7
Calculated formula	C H Cu N7
Title of publication	Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties
Authors of publication	Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	22
Pages of publication	4136
a	6.7352 ± 0.0013 Å
b	7.5089 ± 0.0015 Å
c	9.6823 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	489.67 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0173
Residual factor for significantly intense reflections	0.0169
Weighted residual factors for significantly intense reflections	0.0397
Weighted residual factors for all reflections included in the refinement	0.0398
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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.	7220386.cif
138521	2015-06-07	cif/ Updating files of 7220386, 7220387 Original log message: Adding full bibliography for 7220386--7220387.cif.	7220386.cif
135844	2015-05-09	cif/ Adding structures of 7220386, 7220387 via cif-deposit CGI script.	7220386.cif