Crystallography Open Database

Information card for entry 4502049

4502048 << 4502049 >> 4502050

Preview

Coordinates	4502049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 N6 Ni O5 S4
Calculated formula	C30 H20 N6 Ni O5 S4
Title of publication	Structural, Spectroscopic, and Magnetic Characterization of the Coordination Polymers [MII(NCS)2(bpe)2]·3H2O·2C2H6SO [M = Co, Ni; bpe = 1,2-Bis(4-pyridyl)ethylene]. Two Interpenetrated Porous Networks
Authors of publication	Callejo, Lorena M.; de la Pinta, Noelia; Madariaga, Gotzon; Fidalgo, Luz; Lezama, Luis; Cortés, Roberto
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	11
Pages of publication	4874
a	15.6228 ± 0.0019 Å
b	15.6228 ± 0.0019 Å
c	15.732 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3839.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.1162
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179551 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/20.	4502049.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502049.cif
36215	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502048, 4502049 via cif-deposit CGI script.	4502049.cif