Crystallography Open Database

Information card for entry 7111878

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Coordinates	7111878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H132 Cu6 N8 O35
Calculated formula	C88 H132 Cu6 N8 O35
Title of publication	Homochiral coordination polymeric gel: Zn2±induced conformational changes leading to J-aggregated helical fibres formation
Authors of publication	Mrigendra Dubey; Ashish Kumar; Daya Shankar Pandey
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1675
a	21.5599 ± 0.0003 Å
b	21.5599 ± 0.0003 Å
c	12.8974 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5995.09 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1306
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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