Crystallography Open Database

Information card for entry 7004470

Preview

Coordinates	7004470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.55 H79.1 B Cl3.1 Mo N6 O5.5 P2 Pt Se
Calculated formula	C65.53 H74.05 B Cl3.1 Mo N6 O5.49 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	11.6097 ± 0.0001 Å
b	14.822 ± 0.0002 Å
c	21.582 ± 0.0003 Å
α	80.746 ± 0.001°
β	82.351 ± 0.001°
γ	81.47 ± 0.001°
Cell volume	3602.15 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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