Crystallography Open Database

Information card for entry 7021981

7021980 << 7021981 >> 7021982

Preview

Coordinates	7021981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H84 Cu11 I3 O12 P6 S13
Calculated formula	C36 H84 Cu11 I3 O12 P6 S13
Title of publication	Substitution reactions on a hypercoordinated main-group element encapsulated in a pentacapped trigonal prismatic copper cage.
Authors of publication	Li, Bing; Liao, Jian-Hong; Tang, Hao-Tsan; Li, Yi-Juan; Liu, C. W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	40
Pages of publication	14384 - 14387
a	37.6 ± 0.004 Å
b	17.9079 ± 0.0017 Å
c	27.46 ± 0.003 Å
α	90°
β	104.703 ± 0.002°
γ	90°
Cell volume	17884 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0403
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179924 (current)	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 7/02/19.	7021981.cif
88908	2013-10-09	cif/ Adding structures of 7021979, 7021980, 7021981 via cif-deposit CGI script.	7021981.cif