Crystallography Open Database

Information card for entry 2022688

2022687 << 2022688 >> 2022689

Preview

Coordinates	2022688.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[(9,9-dimethyl-9<i>H</i>-xanthene-4,5-diyl)bis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>'](pyridine-3-carbonitrile-κ<i>N</i>^3^)copper(I)] hexafluorophosphate dichloromethane trisolvate]
Formula	C48 H42 Cl6 Cu F6 N2 O P3
Calculated formula	C48 H42 Cl6 Cu F6 N2 O P3
Title of publication	A new heteroleptic cuprous polymer constructed by a cyanopyridine ligand exhibiting a supramolecular framework structure and luminescence
Authors of publication	Kong, Yu-Jie; Wang, Jian-Teng; Song, Li
Journal of publication	Acta Crystallographica Section C
Year of publication	2022
Journal volume	78
Journal issue	11
a	15.0438 ± 0.0007 Å
b	13.42 ± 0.0005 Å
c	25.3937 ± 0.0009 Å
α	90°
β	100.933 ± 0.004°
γ	90°
Cell volume	5033.6 ± 0.4 Å³
Cell temperature	174.1 K
Ambient diffraction temperature	174.1 K
Number of distinct elements	8
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	0.0871
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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