Crystallography Open Database

Information card for entry 7027372

Preview

Coordinates	7027372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H42 Cu F6 N3 P2
Calculated formula	C31 H42 Cu F6 N3 P2
Title of publication	A new route to (N)n-donor functionalised phosphines; novel homo- and hetero-nuclear complexes of a phosphino-substituted triazacyclononane ligand
Authors of publication	Watkins, Scott E.; Yang, Xinhao; Craig, Donald C.; Colbran, Stephen B.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	10
Pages of publication	1539
a	15.091 ± 0.006 Å
b	14.532 ± 0.003 Å
c	17.99 ± 0.009 Å
α	90°
β	123.87 ± 0.02°
γ	90°
Cell volume	3276 ± 2 Å³
Cell temperature	294 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections included in the refinement	1.69
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
191942 (current)	2017-02-09	cif/7/ (antanas@echidna.ibt.lt) Changing the _atom_site_occupancy data item value from '?' to '1' for all fully occupied atom sites in entries 7005392, 7009333, 7009334, 7009336, 7009338, 7009339, 7010628, 7010907, 7010908, 7010910, 7010911, 7011577, 7011578, 7027372, 7050445, 7050815, 7110713, 7110714, 7151588.	7027372.cif
179979	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/73.	7027372.cif
95319	2014-01-28	cif/ Adding structures of 7027372 via cif-deposit CGI script.	7027372.cif