Crystallography Open Database

Information card for entry 7037094

Preview

Coordinates	7037094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H54 Cd2 N6 O18
Calculated formula	C49 H54 Cd2 N6 O18
Title of publication	Tuning different kinds of entangled metal-organic frameworks by modifying the spacer group of aliphatic dicarboxylate ligands and the reactant ratio.
Authors of publication	Yang, Jin-Xia; Zhai, Ji-Quan; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	2
Pages of publication	711 - 723
a	20.6271 ± 0.0008 Å
b	13.6669 ± 0.0006 Å
c	20.6839 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5831 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7037094.cif
176000	2016-02-05	cif/ Updating files of 7037090, 7037091, 7037092, 7037093, 7037094, 7037095 Original log message: Adding full bibliography for 7037090--7037095.cif.	7037094.cif
170112	2015-11-06	cif/ Adding structures of 7037090, 7037091, 7037092, 7037093, 7037094, 7037095 via cif-deposit CGI script.	7037094.cif