Crystallography Open Database

Information card for entry 4332269

Preview

Coordinates	4332269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H61 N13 O2 Zn
Calculated formula	C59 H61 N13 O2 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	12.7189 ± 0.0006 Å
b	15.0091 ± 0.0007 Å
c	16.2443 ± 0.0006 Å
α	108.615 ± 0.004°
β	96.78 ± 0.004°
γ	110.697 ± 0.004°
Cell volume	2654.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.1767
Goodness-of-fit parameter for all reflections included in the refinement	1.166
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.	4332269.cif
98204	2014-01-29	cif/ Adding structures of 4332266, 4332267, 4332268, 4332269, 4332270, 4332271, 4332272, 4332273 via cif-deposit CGI script.	4332269.cif