Crystallography Open Database

Information card for entry 4309810

Preview

Coordinates	4309810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H86 F12 Fe2 N8 O3 P2
Calculated formula	C70 H85.574 F12 Fe2 N8 O3 P2
Title of publication	New Class of Verdoheme Analogues with Weakly Coordinating Anions: The Structure of (μ-Oxo)bis[(octaethyloxoporphinato)iron(III)] Hexafluorophosphate
Authors of publication	Mozhgan Khorasani-Motlagh; Nasser Safari; Meissam Noroozifar; Jilla Saffari; Mahtab Biabani; Júlio S. Rebouças; Brian O. Patrick
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7762 - 7769
a	8.7114 ± 0.001 Å
b	26.102 ± 0.004 Å
c	15.8323 ± 0.0014 Å
α	90°
β	104.134 ± 0.006°
γ	90°
Cell volume	3491 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1058
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179136 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/98.	4309810.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309810.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309810.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309810.cif