Crystallography Open Database

Information card for entry 4331717

Preview

Coordinates	4331717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H127 Cl4 Er7 N12 O58
Calculated formula	C144 H108 Cl4 Er7 N12 O58
Title of publication	A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units
Authors of publication	Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6 - 8
a	16.9317 ± 0.0005 Å
b	16.9317 ± 0.0005 Å
c	14.6966 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	3648.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179420 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17.	4331717.cif
97827	2014-01-29	cif/ Adding structures of 4331717 via cif-deposit CGI script.	4331717.cif