Crystallography Open Database

Information card for entry 7110473

Preview

Coordinates	7110473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H68 Fe2 N4 Ni O0.25
Calculated formula	C59.996 H68 Fe2 N3.996 Ni O0.25
Title of publication	Bis(ferrocenyl)porphyrins. Compounds with strong long-range metal‒metal coupling†
Authors of publication	Burrell, Anthony K.; Campbell, Wayne M.; Jameson, Geoffrey B.; Officer, David L.; Boyd, Peter D. W.; Zhao, Zhongde; Cocks, Paul A.; Gordon, Keith C.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	7
Pages of publication	637
a	28.5339 ± 0.0002 Å
b	28.5339 ± 0.0002 Å
c	24.6067 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	20034.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.2048
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
180218 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/04.	7110473.cif
95230	2014-01-28	cif/ Adding structures of 7110472, 7110473 via cif-deposit CGI script.	7110473.cif