Crystallography Open Database

Information card for entry 4103777

Preview

Coordinates	4103777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H144 N36 Na12 O93 V18
Calculated formula	C72 H76 N36 Na7.75 O107 V18
Title of publication	Cucurbit[n]uril-Polyoxoanion Hybrids
Authors of publication	Xikui Fang; Paul Kögerler; Lyle Isaacs; Sayaka Uchida; Noritaka Mizuno
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	432 - 433
a	14.5575 ± 0.0011 Å
b	31.58 ± 0.002 Å
c	38.173 ± 0.003 Å
α	90°
β	90.127 ± 0.001°
γ	90°
Cell volume	17549 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0959
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.2375
Weighted residual factors for all reflections included in the refinement	0.2459
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
178783 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/37.	4103777.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103777.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103777.cif
28246	2011-10-21	../uploads/cif-deposit/cod/cif Adding structures of 4103777 via cif-deposit CGI script.	4103777.cif