Crystallography Open Database

Information card for entry 7018264

Preview

Coordinates	7018264.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Porphycene
Formula	C42 H54 Cl Fe N6 O4
Calculated formula	C42 H54 Cl Fe N6 O4
Title of publication	Unusual electronic structure of bis-isocyanide complexes of iron(iii) porphyrinoids.
Authors of publication	Ohgo, Yoshiki; Neya, Saburo; Hashizume, Daisuke; Ozeki, Tomoji; Nakamura, Mikio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	11
Pages of publication	3126 - 3129
a	19.281 ± 0.006 Å
b	16.711 ± 0.005 Å
c	7.302 ± 0.002 Å
α	90°
β	110.917 ± 0.004°
γ	90°
Cell volume	2197.7 ± 1.1 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7018264.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018264.cif
37702	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018263, 7018264 via cif-deposit CGI script.	7018264.cif