Crystallography Open Database

Information card for entry 4109439

Preview

Coordinates	4109439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79.67 H82.51 Cl17 N7.84 Ni Pd
Calculated formula	C79.672 H82.508 Cl17 N7.836 Ni Pd
Title of publication	Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals
Authors of publication	Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	6392 - 6393
a	13.698 ± 0.003 Å
b	19.25 ± 0.003 Å
c	33.159 ± 0.006 Å
α	90°
β	91.498 ± 0.004°
γ	90°
Cell volume	8741 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.2655
Weighted residual factors for all reflections included in the refinement	0.2816
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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
178840 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/94.	4109439.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109439.cif
58213	2012-05-25	cif/ Adding structures of 4109439 via cif-deposit CGI script.	4109439.cif