Crystallography Open Database

Information card for entry 7004471

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Coordinates	7004471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H61 B Mo N6 O2 P2 Pt Se
Calculated formula	C60 H61 B Mo N6 O2 P2 Pt Se
Title of publication	Isoselenocarbonyls via acetylenic C‒Se activation
Authors of publication	Caldwell, Lorraine M.; Hill, Anthony F.; Wagler, Jörg; Willis, Anthony C.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	27
Pages of publication	3538 - 3541
a	25.2562 ± 0.0005 Å
b	12.3965 ± 0.0002 Å
c	37.3364 ± 0.0007 Å
α	90°
β	98.6699 ± 0.0008°
γ	90°
Cell volume	11556 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for all reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0265
Weighted residual factors for all reflections included in the refinement	0.0265
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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