Crystallography Open Database

Information card for entry 7001386

Preview

Coordinates	7001386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 B N6 P Ru
Calculated formula	C31 H28 B N6 P Ru
Title of publication	Reactions of Tp(NHCPh2)(PPh3)Ru‒Cl with HCCPh in the presence of H2O: insertion/hydration products
Authors of publication	Cheng, Chih-Jen; Tong, Hung-Chun; Fong, Yih-Hsuan; Wang, Po-Yo; Kuo, Yu-Lin; Lo, Yih-Hsing; Lin, Chia-Her
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	23
Pages of publication	4435 - 4438
a	31.1903 ± 0.0005 Å
b	9.6369 ± 0.0002 Å
c	18.5437 ± 0.0003 Å
α	90°
β	93.277 ± 0.001°
γ	90°
Cell volume	5564.71 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
179710 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/13.	7001386.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001386.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001386.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001386.cif