Crystallography Open Database

Information card for entry 4030368

Preview

Coordinates	4030368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89.674 H53.935 Cl0.413 N10 Ni2 O4
Calculated formula	C89.674 H53.935 Cl0.413 N10 Ni2 O4
Title of publication	Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.
Authors of publication	Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	80
Journal issue	1
Pages of publication	499
a	30.029 ± 0.018 Å
b	14.388 ± 0.009 Å
c	32.622 ± 0.019 Å
α	90°
β	111.519 ± 0.009°
γ	90°
Cell volume	13112 ± 14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1822
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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
178482 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/03.	4030368.cif
130748	2015-02-04	cif/ Updating files of 4030367, 4030368, 4030369, 4030370 Original log message: Adding full bibliography for 4030367--4030370.cif.	4030368.cif
128955	2014-12-21	cif/ Adding structures of 4030367, 4030368, 4030369, 4030370 via cif-deposit CGI script.	4030368.cif