Crystallography Open Database

Information card for entry 7219323

7219322 << 7219323 >> 7219324

Preview

Coordinates	7219323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H89 Cd6 Cl N12 O50.5
Calculated formula	C84 H88.98 Cd6 Cl N12 O50.5
Title of publication	In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties
Authors of publication	Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	8
Pages of publication	1871
a	18.1541 ± 0.0012 Å
b	18.1541 ± 0.0012 Å
c	27.843 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	7946.9 ± 1.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7219323.cif
133233	2015-03-06	cif/ Updating files of 7219323, 7219324, 7219325, 7219326, 7219327 Original log message: Adding full bibliography for 7219323--7219327.cif.	7219323.cif
129704	2015-01-17	cif/ Adding structures of 7219323, 7219324, 7219325, 7219326, 7219327 via cif-deposit CGI script.	7219323.cif