Crystallography Open Database

Information card for entry 4320665

4320664 << 4320665 >> 4320666

Preview

Coordinates	4320665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H71 B Cu F4 Fe N O2 P2
Calculated formula	C44 H71 B Cu F4 Fe N O2 P2
Title of publication	Synthesis and Characterization of a Monocyanide-Bridged Bimetallic Iron(II) and Copper(I) Complex
Authors of publication	Donald J. Darensbourg; Way-Zen Lee; Jason C. Yarbrough
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	6533 - 6536
a	10.0793 ± 0.0016 Å
b	12.0241 ± 0.0018 Å
c	19.503 ± 0.003 Å
α	93.483 ± 0.005°
β	93.217 ± 0.002°
γ	102.516 ± 0.003°
Cell volume	2297.4 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1135
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1946
Weighted residual factors for all reflections included in the refinement	0.2299
Goodness-of-fit parameter for all reflections included in the refinement	0.741
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
179309 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/06.	4320665.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320665.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320665.cif
17861	2011-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4320665 via cif-deposit CGI script.	4320665.cif