Crystallography Open Database

Information card for entry 2019316

2019315 << 2019316 >> 2019317

Preview

Coordinates	2019316.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[dichloridodicopper(I)(<i>Cu</i>—<i>Cu</i>)]-μ-2,7-bis(1<i>H</i>-imidazol-1-yl)-9,9-dimethyl-9<i>H</i>-fluorene]
Formula	C21 H18 Cl2 Cu2 N4 O0
Calculated formula	C21 H18 Cl2 Cu2 N4
SMILES	[Cu]([n]1ccn(c1)c1ccc2c(c1)C(C)(C)c1c2ccc(c1)n1ccnc1)[n]1ccn(c1)c1ccc2c3ccc(cc3C(C)(C)c2c1)n1cc[n]([Cu])c1.[Cu](Cl)[Cl-].[Cu](Cl)[Cl-]
Title of publication	The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride
Authors of publication	Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1488 - 1493
a	12.749 ± 0.009 Å
b	17.215 ± 0.011 Å
c	9.489 ± 0.006 Å
α	90°
β	100.402 ± 0.009°
γ	90°
Cell volume	2048 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0783
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	2019316.cif
92334	2014-01-12	cif/ Adding structures of 2019315, 2019316, 2019317 via cif-deposit CGI script.	2019316.cif