Crystallography Open Database

Information card for entry 4075625

Preview

Coordinates	4075625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 B9 N O5 P2 Re Rh
Calculated formula	C48 H44 B9 N O5 P2 Re Rh
SMILES	[Rh]123456([C]78([BH]9%102[BH]2%115[B]5%12%131[H][Re]6%13([BH]1645[BH]437[BH]389[BH]154[BH]2%126[BH]%10%1135)(C#[O])(C#[O])C#[O])c1ccccc1)(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	10.2229 ± 0.0019 Å
b	14.716 ± 0.003 Å
c	17.344 ± 0.003 Å
α	105.489 ± 0.007°
β	102.955 ± 0.008°
γ	94.604 ± 0.008°
Cell volume	2423 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0721
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.