Crystallography Open Database

Information card for entry 4319852

4319851 << 4319852 >> 4319853

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Coordinates	4319852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 N4 Ni O2
Calculated formula	C48 H37 N4 Ni O2
Title of publication	Biladienones from the Photooxidation of ameso-gem-Disubstituted Phlorin: Crystal and Molecular Structures of the 3N + O Coordinated Nickel(II) and Copper(II) Complexes
Authors of publication	Christophe Jeandon; Bénédicte Krattinger; Romain Ruppert; Henry J. Callot
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3149 - 3153
a	41.726 ± 0.003 Å
b	9.1582 ± 0.0003 Å
c	20.275 ± 0.001 Å
α	90°
β	101.546 ± 0.005°
γ	90°
Cell volume	7591 ± 0.7 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.276
Residual factor for significantly intense reflections	0.065
Weighted residual factors for all reflections	0.422
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections	12.264
Goodness-of-fit parameter for all reflections included in the refinement	1.538
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179278 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/98.	4319852.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319852.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319852.cif
16657	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319852 via cif-deposit CGI script.	4319852.cif