Crystallography Open Database

Information card for entry 2019315

2019314 << 2019315 >> 2019316

Preview

Coordinates	2019315.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,7-Bis(1<i>H</i>-imidazol-1-yl)-9,9-dimethyl-9<i>H</i>-fluorene
Formula	C21 H18 N4
Calculated formula	C21 H18 N4
SMILES	CC1(C)c2cc(ccc2c2c1cc(cc2)n1cncc1)n1cncc1
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	6.616 ± 0.003 Å
b	15.683 ± 0.006 Å
c	8.545 ± 0.004 Å
α	90°
β	108.037 ± 0.005°
γ	90°
Cell volume	843 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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.	2019315.cif
92334	2014-01-12	cif/ Adding structures of 2019315, 2019316, 2019317 via cif-deposit CGI script.	2019315.cif