Crystallography Open Database

Information card for entry 7113391

Preview

Coordinates	7113391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H57 F3 Mo N2 O13 S
Calculated formula	C36 H57 F3 Mo N2 O13 S
Title of publication	A (H2O)4/crown ether network spanned between organometallic complex metal fragments.
Authors of publication	Rodrigues, Cristina Wippert; Limberg, Christian; Pritzkow, Hans
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	23
Pages of publication	2734 - 2735
a	10.3645 ± 0.0005 Å
b	13.117 ± 0.0006 Å
c	17.6983 ± 0.0009 Å
α	104.817 ± 0.001°
β	100.72 ± 0.001°
γ	106.751 ± 0.001°
Cell volume	2137.94 ± 0.18 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
180247 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33.	7113391.cif
114620	2014-05-28	cif/ Adding structures of 7113391 via cif-deposit CGI script.	7113391.cif