Crystallography Open Database

Information card for entry 7011552

Preview

Coordinates	7011552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H116 Cu2 N24 O24
Calculated formula	C20 H21 Cu0.5 N6 O6
Title of publication	Assembly of supermolecular complexes with tripodal ligand titmb and tib: a 2D rhombic grid network assembled from 2-connected tib
Authors of publication	Liu, Hong-Ke; Sun, Wei-Yin; Tang, Wen-Xia; Tan, Hai-Yan; Zhang, Hua-Xin; Tong, Ye-Xiang; Yu, Xiao-Lan; Kang, Bei-Sheng
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	20
Pages of publication	3886
a	10.565 ± 0.002 Å
b	12.13 ± 0.002 Å
c	17.726 ± 0.004 Å
α	90°
β	103.72 ± 0.03°
γ	90°
Cell volume	2206.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1509
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.2218
Weighted residual factors for all reflections included in the refinement	0.2686
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011552.cif
179819	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/15.	7011552.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011552.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011552.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011552.cif