Crystallography Open Database

Information card for entry 4318721

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Coordinates	4318721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H64 Fe O13 P4 S
Calculated formula	C29 H54 Fe O13 P4 S
Title of publication	Precursors to Water-Soluble Dinitrogen Carriers. Synthesis of Water-Soluble Complexes of Iron(II) Containing Water-Soluble Chelating Phosphine Ligands of the Type 1,2-Bis(bis(hydroxyalkyl)phosphino)ethane
Authors of publication	Warren K. Miller; John D. Gilbertson; Carmen Leiva-Paredes; Paul R. Bernatis; Timothy J. R. Weakley; David K. Lyon; David R. Tyler
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5453 - 5465
a	11.6314 ± 0.0008 Å
b	15.943 ± 0.002 Å
c	21.422 ± 0.003 Å
α	90°
β	100.152 ± 0.008°
γ	90°
Cell volume	3910.3 ± 0.8 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.093
Weighted residual factors for all reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections	2.02
Goodness-of-fit parameter for all reflections included in the refinement	2.48
Diffraction radiation wavelength	0.71073 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.	4318721.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318721.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318721.cif
15442	2011-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4318721 via cif-deposit CGI script.	4318721.cif