Crystallography Open Database

Information card for entry 7111902

7111901 << 7111902 >> 7111903

Preview

Coordinates	7111902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22.5 Gd N3 O20.25
Calculated formula	C21 H9 Gd N3 O18.99
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	13.941 ± 0.0009 Å
b	13.941 ± 0.0009 Å
c	21.8405 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	3676 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1714
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71075 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.	7111902.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7111902.cif
103141	2014-02-25	cif/ Adding structures of 7111899, 7111900, 7111901, 7111902 via cif-deposit CGI script.	7111902.cif