Crystallography Open Database

Information card for entry 7700435

Preview

Coordinates	7700435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H65 B Fe P2
Calculated formula	C60 H65 B Fe P2
Title of publication	A sterically congested 1,2-diphosphino-1'-boryl-ferrocene: synthesis, characterization and coordination to platinum.
Authors of publication	Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Fleurat-Lessard, Paul; Boudjelel, Maxime; Massou, Stéphane; Bouhadir, Ghenwa; Bourissou, Didier; Hierso, Jean-Cyrille
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	30
Pages of publication	11191 - 11195
a	14.0236 ± 0.0005 Å
b	19.7055 ± 0.0005 Å
c	18.3538 ± 0.0006 Å
α	90°
β	99.857 ± 0.001°
γ	90°
Cell volume	4997.1 ± 0.3 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 K
Number of distinct elements	5
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	0.0617
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
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
224332 (current)	2019-11-08	cif/ Updating files of 7700435, 7700436 Original log message: Adding full bibliography for 7700435--7700436.cif.	7700435.cif
216761	2019-07-05	cif/ Adding structures of 7700435, 7700436 via cif-deposit CGI script.	7700435.cif