Crystallography Open Database

Information card for entry 7241169

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Coordinates	7241169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H61 Cl6 Cu3 N6 O14
Calculated formula	C79 H61 Cl6 Cu3 N6 O14
Title of publication	Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport property
Authors of publication	Islam, Sakhiul; Pal, Baishakhi; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
Journal of publication	CrystEngComm
Year of publication	2020
a	13.3784 ± 0.001 Å
b	13.4372 ± 0.001 Å
c	22.8411 ± 0.0017 Å
α	79.854 ± 0.004°
β	86.664 ± 0.004°
γ	82.954 ± 0.003°
Cell volume	4008.6 ± 0.5 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1261
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.2438
Weighted residual factors for all reflections included in the refinement	0.2673
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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