Crystallography Open Database

Information card for entry 7010247

Preview

Coordinates	7010247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H57 F6 N3 P Rh
Calculated formula	C47 H57 F6 N3 P Rh
Title of publication	An investigation of 1,4,7-tri(4-alkynyl)-1,4,7-triazacyclononanes: ligand synthesis and metal co-ordination chemistry †
Authors of publication	Baker, Murray V.; Brown, David H.; Skelton, Brian W.; White, Allan H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	24
Pages of publication	4607
a	11.485 ± 0.001 Å
b	12.312 ± 0.002 Å
c	30.35 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4291.6 ± 1 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections	1.418
Goodness-of-fit parameter for all reflections included in the refinement	1.417
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7010247.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010247.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010247.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010247.cif