Crystallography Open Database

Information card for entry 7042719

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Coordinates	7042719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H26 Cd9 O52
Calculated formula	C64 H26 Cd9 O52
Title of publication	Assembling hierarchical metal-oxygen building units with a semirigid tetracarboxylate ligand to a three-dimensional framework for nitrobenzene sensing
Authors of publication	Song, Xuezhi; Gao, Liguo; Wang, Yuxiang; Chen, Xiaolei; Qiao, Liang; Tan, Zhenquan
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.6728 ± 0.0016 Å
b	14.952 ± 0.0019 Å
c	25.04 ± 0.006 Å
α	90.772 ± 0.009°
β	95.147 ± 0.01°
γ	101.478 ± 0.005°
Cell volume	3898.2 ± 1.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
198632 (current)	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 524 files were changed.	7042719.cif
195611	2017-04-20	cif/ Adding structures of 7042719 via cif-deposit CGI script.	7042719.cif