Crystallography Open Database

Information card for entry 4500294

Preview

Coordinates	4500294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H50 Cl2 K2 N20 O13.5
Calculated formula	C40 H50 Cl2 K2 N20 O13.5
Title of publication	Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions
Authors of publication	Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	3
Pages of publication	778
a	24.4141 ± 0.0009 Å
b	17.7598 ± 0.0004 Å
c	12.7352 ± 0.0004 Å
α	90°
β	116.051 ± 0.004°
γ	90°
Cell volume	4960.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0933
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.202
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4500294.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500294.cif
34435	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500294 via cif-deposit CGI script.	4500294.cif