Crystallography Open Database

Information card for entry 4321392

Preview

Coordinates	4321392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 Cl Cr N6 O
Calculated formula	C56 H42 Cl Cr N6 O
SMILES	[Cr]123(Cl)(=O)[n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1.n1ccccc1C.n1ccccc1C
Title of publication	Laser Photolysis of Chromium(III) Porphyrins with Axial Pyridines in Dichloromethane and Toluene Solutions. Novel Effects of a Hydrogen Bond in the Ligand Exchange Reaction
Authors of publication	Masahiko Inamo; Hideyuki Nakaba; Kiyohiko Nakajima; Mikio Hoshino
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4417 - 4423
a	11.7727 ± 0.0005 Å
b	19.277 ± 0.002 Å
c	10.387 ± 0.0003 Å
α	90.104 ± 0.008°
β	105.424 ± 0.005°
γ	89.935 ± 0.007°
Cell volume	2272.3 ± 0.3 Å³
Cell temperature	298.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	2.043
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4321392.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321392.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321392.cif
18762	2011-05-04	../uploads/cif-deposit/cod/cif Adding structures of 4321392 via cif-deposit CGI script.	4321392.cif