Crystallography Open Database

Information card for entry 7110577

Preview

Coordinates	7110577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H91 Cl11 F19 Mo6 N3 O17 P6
Calculated formula	C97 H80 Cl11 F19 Mo6 N3 O17 P6
Title of publication	Novel cyclic hexanuclear complexes containing quadruply bonded units joined by μ6-carbonate ions
Authors of publication	Suen, Maw-Cherng; Tseng, Gwo-Wei; Chen, Jhy-Der; Keng, Tai-Chiun; Wang, Ju-Chun
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	13
Pages of publication	1185
a	27.7834 ± 0.0015 Å
b	17.0909 ± 0.0009 Å
c	27.0849 ± 0.0014 Å
α	90°
β	107.147 ± 0.0012°
γ	90°
Cell volume	12289.4 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
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	0.0882
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.59
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
180219 (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 7/11/05.	7110577.cif
95429	2014-01-28	cif/ Adding structures of 7110577, 7110578, 7110579 via cif-deposit CGI script.	7110577.cif