Crystallography Open Database

Information card for entry 4509448

Preview

Coordinates	4509448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H71 Eu2 N7 O27 S3
Calculated formula	C54 H46 Eu2 N4 O22 S3
Title of publication	Lanthanide Metal−Organic Frameworks Based on Octahedral Secondary Building Units: Rare Net Topology and Luminescence
Authors of publication	Yan, Li; Yue, Qi; Jia, Qin-Xiang; Lemercier, Gilles; Gao, En-Qing
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	7
Pages of publication	2984
a	35.0409 ± 0.0017 Å
b	14.9178 ± 0.0007 Å
c	30.1429 ± 0.0014 Å
α	90°
β	98.386 ± 0.001°
γ	90°
Cell volume	15588.2 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0455
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
179630 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/94.	4509448.cif
97289	2014-01-29	cif/ Adding structures of 4509448 via cif-deposit CGI script.	4509448.cif