Crystallography Open Database

Information card for entry 4331523

Preview

Coordinates	4331523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H12 Cl6 F29 N6 O0 Pd2
Calculated formula	C76 H12 Cl6 F29 N6 Pd2
Title of publication	Group 10 Metal Complexes ofmeso-Aryl-Substituted [26]Hexaphyrins with a Metal−Carbon Bond
Authors of publication	Mori, Shigeki; Shimizu, Soji; Taniguchi, Ryuichiro; Osuka, Atsuhiro
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4127 - 4129
a	13.838 ± 0.007 Å
b	14.394 ± 0.008 Å
c	18.255 ± 0.01 Å
α	99.1 ± 0.05°
β	90.36 ± 0.04°
γ	104.4 ± 0.05°
Cell volume	3474 ± 3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1113
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for significantly intense reflections	0.2706
Weighted residual factors for all reflections included in the refinement	0.2846
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179418 (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 4/33/15.	4331523.cif
97679	2014-01-29	cif/ Adding structures of 4331523 via cif-deposit CGI script.	4331523.cif