Crystallography Open Database

Information card for entry 7038947

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Coordinates	7038947.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound 8
Formula	C74 H98 Cr O12
Calculated formula	C73.65 H78 Cr O10.1
Title of publication	Synthesis of a mononuclear, non-square-planar chromium(ii) bis(alkoxide) complex and its reactivity toward organic carbonyls and CO2.
Authors of publication	Yousif, Maryam; Cabelof, Alyssa C.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	24
Pages of publication	9794 - 9804
a	13.8974 ± 0.0015 Å
b	16.8586 ± 0.0018 Å
c	28.648 ± 0.004 Å
α	78.612 ± 0.006°
β	85.689 ± 0.006°
γ	76.473 ± 0.005°
Cell volume	6394.3 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.206
Residual factor for significantly intense reflections	0.155
Weighted residual factors for significantly intense reflections	0.3732
Weighted residual factors for all reflections included in the refinement	0.4095
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
185382 (current)	2016-08-07	cif/ Updating files of 7038947 Original log message: Adding full bibliography for 7038947.cif.	7038947.cif
181838	2016-04-06	cif/ Adding structures of 7038947 via cif-deposit CGI script.	7038947.cif