Crystallography Open Database

Information card for entry 7115123

Preview

Coordinates	7115123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H42 Cl4 N4 O P2 Re
Calculated formula	C45 H42 Cl4 N4 O P2 Re
Title of publication	Oxygen atom transfer from RevO to tertiary diphosphines: spacer length and chemical differentiation of products
Authors of publication	Bhattacharyya, Sibaprasad; Chakraborty, Indranil; Dirghangi, Bimal Kumar; Chakravorty, Animesh
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	18
Pages of publication	1813
a	11.957 ± 0.004 Å
b	12.383 ± 0.003 Å
c	17.046 ± 0.006 Å
α	88.36 ± 0.02°
β	74.21 ± 0.02°
γ	84.1 ± 0.02°
Cell volume	2415.8 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for all reflections	0.1533
Weighted residual factors for significantly intense reflections	0.1273
Goodness-of-fit parameter for all reflections	1.125
Goodness-of-fit parameter for significantly intense reflections	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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