Crystallography Open Database

Information card for entry 7014372

Preview

Coordinates	7014372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H97 Al2 N4 O6
Calculated formula	C67 H97 Al2 N4 O6
Title of publication	Combined experimental and theoretical investigation into C-H activation of cyclic alkanes by Cp'Rh(CO)(2) (Cp' = η(5)-C(5)H(5) or η(5)-C(5)Me(5)).
Authors of publication	George, Michael W.; Hall, Michael B.; Portius, Peter; Renz, Amanda L.; Sun, Xue-Zhong; Towrie, Michael; Yang, Xinzheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	8
Pages of publication	1751 - 1757
a	18.579 ± 0.003 Å
b	18.579 ± 0.003 Å
c	15.951 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	4768.3 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179847 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/43.	7014372.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014372.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014372.cif
14739	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014372, 7014373 via cif-deposit CGI script.	7014372.cif