Crystallography Open Database

Information card for entry 7009821

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Coordinates	7009821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H41 B10 Fe Mo O5 P
Calculated formula	C34 H41 B10 Fe Mo O5 P
Title of publication	Contemporary bimetallic molecules: an unusual class of exo-closo metallacarbaboranes having no metal‒metal bonds
Authors of publication	Ellis, Dianne D.; Franken, Andreas; Jelliss, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	15
Pages of publication	2509
a	20.0653 ± 0.0015 Å
b	16.9217 ± 0.0017 Å
c	11.7368 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3985.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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