Crystallography Open Database

Information card for entry 4325076

Preview

Coordinates	4325076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H65.84 Br2.17 N10 Ni2 O6 P2
Calculated formula	C74 H65.8348 Br2.1652 N10 Ni2 O6 P2
Title of publication	New Dinuclear Nickel(II) Complexes: Synthesis, Structure, Electrochemical, and Magnetic Properties
Authors of publication	Dmitry Yakhvarov; Ekaterina Trofimova; Oleg Sinyashin; Olga Kataeva; Yulia Budnikova; Peter Lönnecke; Evamarie Hey-Hawkins; Andreas Petr; Yulia Krupskaya; Vladislav Kataev; Rüdiger Klingeler; Bernd Büchner
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4553 - 4558
a	13.5067 ± 0.0005 Å
b	21.2589 ± 0.0006 Å
c	12.1901 ± 0.0004 Å
α	90°
β	103.476 ± 0.004°
γ	90°
Cell volume	3403.9 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
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	0.0601
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	0.851
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179353 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50.	4325076.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325076.cif
43528	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325076 via cif-deposit CGI script.	4325076.cif