Crystallography Open Database

Information card for entry 4500427

Preview

Coordinates	4500427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cu N8
Calculated formula	C12 H12 Cu N8
Title of publication	Ferromagnetic End-to-End Azides and Tetrahedral Cobalt: Unusual Findings in the M-BPA-Pseudohalide2System
Authors of publication	De la Pinta, Noelia; Fidalgo, M. Luz; Lezama, Luis; Madariaga, Gotzon; Callejo, Lorena; Cortés, Roberto
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1310
a	9.993 ± 0.008 Å
b	13.395 ± 0.009 Å
c	10.502 ± 0.006 Å
α	90°
β	106.04 ± 0.06°
γ	90°
Cell volume	1351 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
179535 (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 4/50/04.	4500427.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500427.cif
34489	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500426, 4500427 via cif-deposit CGI script.	4500427.cif