Crystallography Open Database

Information card for entry 4332268

Preview

Coordinates	4332268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H70 N10 O6 S Zn
Calculated formula	C46 H48 N10 O6 S2 Zn
Title of publication	Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes
Authors of publication	Goslinski, Tomasz; Zhong, Chang; Fuchter, Matthew J.; Stern, Charlotte L.; White, Andrew J. P.; Barrett, Anthony G. M.; Hoffman, Brian M.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	9
Pages of publication	3686 - 3694
a	11.17 ± 0.003 Å
b	16.138 ± 0.004 Å
c	16.255 ± 0.004 Å
α	115.726 ± 0.003°
β	95.645 ± 0.004°
γ	100.672 ± 0.004°
Cell volume	2540.6 ± 1.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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 all reflections	0.1145
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.2107
Weighted residual factors for all reflections included in the refinement	0.2412
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179425 (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 4/33/22.	4332268.cif
98204	2014-01-29	cif/ Adding structures of 4332266, 4332267, 4332268, 4332269, 4332270, 4332271, 4332272, 4332273 via cif-deposit CGI script.	4332268.cif