Crystallography Open Database

Information card for entry 4303165

Preview

Coordinates	4303165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Cl4 Fe2 N18 O16
Calculated formula	C30 H36 Cl4 Fe2 N18 O16
SMILES	c1c2C=[N]3[Fe]456([n]2c(C)[nH]1)[n]1c(C)[nH]cc1C=[N]5[N]1=Cc2c[nH]c(C)[n]2[Fe]251([n]1c(C)[nH]cc1C=[N]2[N]6=Cc1c[nH]c(C)[n]41)[n]1c(C)[nH]cc1C=[N]35.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Structures and Spin States of Bis(tridentate)-Type Mononuclear and Triple Helicate Dinuclear Iron(II) Complexes of Imidazole-4-carbaldehyde azine
Authors of publication	Yukinari Sunatsuki; Ryohei Kawamoto; Kunihiro Fujita; Hisashi Maruyama; Takayoshi Suzuki; Hiroyuki Ishida; Masaaki Kojima; Seiichiro Iijima; Naohide Matsumoto
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8784 - 8795
a	10.031 ± 0.002 Å
b	10.031 ± 0.002 Å
c	24.859 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	2166.2 ± 0.8 Å³
Cell temperature	93.1 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4303165.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303165.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303165.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303165.cif