Crystallography Open Database

Information card for entry 7206665

7206664 << 7206665 >> 7206666

Preview

Coordinates	7206665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H36 N10 Ni4 O27
Calculated formula	C58 H36 N10 Ni4 O27
Title of publication	Solid-state transformation of the MOF [Ni2(bipy)1.5(PDC)2(H2O)2]·3.5H2O
Authors of publication	Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Vallcorba, Oriol; Rius, Jordi; Miravittles, Carles; Arriortua, María-Isabel
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	22
Pages of publication	6831
a	14.628 ± 0.0016 Å
b	11.6031 ± 0.0011 Å
c	22.004 ± 0.003 Å
α	90°
β	116.141 ± 0.009°
γ	90°
Cell volume	3352.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1572
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	0.744
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
180397 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/66.	7206665.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206665.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206665.cif
29976	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206665, 7206666 via cif-deposit CGI script.	7206665.cif