Crystallography Open Database

Information card for entry 4339936

Preview

Coordinates	4339936.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	sigma-Phenyl N-fused porphyrin chloride
Formula	C56.53 H45.06 B Cl6.06 N4
Calculated formula	C56.5242 H45.0484 B Cl6.0484 N4
Title of publication	Single-boron complexes of N-confused and N-fused porphyrins.
Authors of publication	Młodzianowska, Anna; Latos-Grazyński, Lechosław; Szterenberg, Ludmiła; Stepień, Marcin
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	6950 - 6957
a	17.776 ± 0.006 Å
b	15.697 ± 0.005 Å
c	17.961 ± 0.006 Å
α	90°
β	100.11 ± 0.04°
γ	90°
Cell volume	4934 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0871
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1827
Weighted residual factors for all reflections included in the refinement	0.2002
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179502 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99.	4339936.cif
117625	2014-06-15	cif/ Adding structures of 4339936 via cif-deposit CGI script.	4339936.cif