Crystallography Open Database

Information card for entry 2020998

2020997 << 2020998 >> 2020999

Preview

Coordinates	2020998.cif
Structure factors	2020998.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(μ-3-phenylprop-2-enoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)calcium(I)]
Formula	C30 H22 Ca N2 O4
Calculated formula	C30 H22 Ca N2 O4
SMILES	[Ca]1234([n]5c6c7[n]1cccc7ccc6ccc5)(OC(=[O]2)/C=C/c1ccccc1)O=C(/C=C/c1ccccc1)[O]3[Ca]123([n]5c6c7[n]1cccc7ccc6ccc5)([O]=C([O]24)/C=C/c1ccccc1)O=C(/C=C/c1ccccc1)O3
Title of publication	Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties
Authors of publication	Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	2
a	27.0933 ± 0.0011 Å
b	11.2988 ± 0.0004 Å
c	7.8989 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2418.03 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1457
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
205945 (current)	2018-01-31	cif/ hkl/ Adding structures of 2020998, 2020999 via cif-deposit CGI script.	2020998.cif 2020998.hkl