Crystallography Open Database

Information card for entry 7111901

7111900 << 7111901 >> 7111902

Preview

Coordinates	7111901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H32 Co4 Gd2 N6 O43
Calculated formula	C42 H18 Co4 Gd2 N6 O43.08
Title of publication	Water molecule-driven reversible single-crystal to single-crystal transformation of a multi-metallic coordination polymer with controllable metal ion movement
Authors of publication	Zheng Niu; Jian-Gong Ma; Wei Shi; Peng Cheng
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1839
a	15.7818 ± 0.0013 Å
b	15.7818 ± 0.0013 Å
c	15.006 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	3236.7 ± 0.4 Å³
Cell temperature	369 K
Ambient diffraction temperature	369 K
Number of distinct elements	6
Space group number	192
Hermann-Mauguin space group symbol	P 6/m c c
Hall space group symbol	-P 6 2c
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180233 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/19.	7111901.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111901.cif
103141	2014-02-25	cif/ Adding structures of 7111899, 7111900, 7111901, 7111902 via cif-deposit CGI script.	7111901.cif