Crystallography Open Database

Information card for entry 4075629

Preview

Coordinates	4075629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H44 B9 Mn N O6 P2 Rh
Calculated formula	C49 H44 B9 Mn N O6 P2 Rh
SMILES	[Rh]123456([Mn]([H][B]782[BH]295[BH]5%104[C]41([BH]1%113[BH]368[BH]672[BH]2%113[BH]541[BH]9%1062)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§
Authors of publication	McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4444
a	10.2676 ± 0.0011 Å
b	28.011 ± 0.002 Å
c	17.3581 ± 0.0019 Å
α	90°
β	99.232 ± 0.004°
γ	90°
Cell volume	4927.6 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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