Crystallography Open Database

Information card for entry 7020928

7020927 << 7020928 >> 7020929

Preview

Coordinates	7020928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H48 Cu F3 Fe2 O6 P2 S
Calculated formula	C49 H48 Cu F3 Fe2 O6 P2 S
Title of publication	Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct
Authors of publication	Štěpnička, Petr; Císařová, Ivana
Journal of publication	Dalton Transactions
Year of publication	2013
Journal volume	42
Journal issue	10
Pages of publication	3373
a	13.1234 ± 0.0003 Å
b	26.056 ± 0.0006 Å
c	13.6517 ± 0.0003 Å
α	90°
β	102.489 ± 0.001°
γ	90°
Cell volume	4557.65 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0658
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179914 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/09.	7020928.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020928.cif
73716	2013-02-21	cif/ Adding structures of 7020918, 7020919, 7020920, 7020921, 7020922, 7020923, 7020924, 7020925, 7020926, 7020927, 7020928, 7020929, 7020930 via cif-deposit CGI script.	7020928.cif