Crystallography Open Database

Information card for entry 7001646

Preview

Coordinates	7001646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Cd N4 O5.5
Calculated formula	C21 H15 Cd N4 O5.5
Title of publication	Interplay of coordinative and supramolecular interactions in formation of a series of metal‒organic complexes bearing diverse dimensionalities
Authors of publication	Liu, Jian-Qiang; Zhang, Ya-Nan; Wang, Yao-Yu; Jin, Jun-Cheng; Lermontova, Elmira Kh.; Shi, Qi-Zhen
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	27
Pages of publication	5365 - 5378
a	25.355 ± 0.004 Å
b	6.7343 ± 0.001 Å
c	11.0811 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1892.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.2342
Weighted residual factors for all reflections included in the refinement	0.2547
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7001646.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001646.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001646.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001646.cif