Crystallography Open Database

Information card for entry 7216603

Preview

Coordinates	7216603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H47 B2 Cu F8 N5 S4
Calculated formula	C50 H47 B2 Cu F8 N5 S4
Title of publication	Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate
Authors of publication	Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.
Journal of publication	CrystEngComm
Year of publication	2002
Journal volume	4
Journal issue	90
Pages of publication	545 - 547
a	14.6815 ± 0.0005 Å
b	10.149 ± 0.0003 Å
c	35.2706 ± 0.0011 Å
α	90°
β	99.88 ± 0.002°
γ	90°
Cell volume	5177.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
180497 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/66.	7216603.cif
173443	2016-01-04	cif/ (antanas@kurmis) Updating bibliographies for multiple entries.	7216603.cif
116868	2014-06-14	cif/ Adding structures of 7216601, 7216602, 7216603, 7216604 via cif-deposit CGI script.	7216603.cif