Crystallography Open Database

Information card for entry 4340640

Preview

Coordinates	4340640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.97 H55.15 N4 Ni0.5 O3.15
Calculated formula	C51.972 H55.144 N4 Ni0.5 O3.15
Title of publication	Selective Synthesis and Redox Sequence of a Heterobimetallic Nickel/Copper Complex of the Noninnocent Siamese-Twin Porphyrin.
Authors of publication	Blusch, Lina K.; Mitevski, Oliver; Martin-Diaconescu, Vlad; Pröpper, Kevin; DeBeer, Serena; Dechert, Sebastian; Meyer, Franc
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	15
Pages of publication	7876
a	14.9415 ± 0.0004 Å
b	17.0016 ± 0.0004 Å
c	19.0343 ± 0.0005 Å
α	98.112 ± 0.001°
β	96.895 ± 0.001°
γ	109.745 ± 0.001°
Cell volume	4431.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4340640.cif
121107	2014-08-04	cif/ Adding structures of 4340640 via cif-deposit CGI script.	4340640.cif