Crystallography Open Database

Information card for entry 7703696

Preview

Coordinates	7703696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 B O3 P2 Rh
Calculated formula	C46 H44 B O3 P2 Rh
SMILES	[Rh]12345([P](c6ccccc6)(c6ccccc6)C([P]1(c1ccccc1)c1ccccc1)(OB1OC(C)(C)C(O1)(C)C)c1ccccc1)[c]16cccc[c]21[cH]4[cH]5[cH]36
Title of publication	The phosphinoboration of acyl chlorides.
Authors of publication	Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	16
Pages of publication	5092 - 5099
a	10.3384 ± 0.0005 Å
b	17.0645 ± 0.0008 Å
c	11.1586 ± 0.0006 Å
α	90°
β	91.508 ± 0.002°
γ	90°
Cell volume	1967.91 ± 0.17 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251619 (current)	2020-05-05	cif/ Updating files of 7703695, 7703696, 7703697, 7703698 Original log message: Adding full bibliography for 7703695--7703698.cif.	7703696.cif
249167	2020-03-07	cif/ Adding structures of 7703695, 7703696, 7703697, 7703698 via cif-deposit CGI script.	7703696.cif