Crystallography Open Database

Information card for entry 7037648

Preview

Coordinates	7037648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 Cl6 I2 N4 Zn
Calculated formula	C32 H30 Cl6 I2 N4 Zn
Title of publication	Dynamic single crystal to polycrystal transformation of a 1D-coordination polymer and its second harmonic generation.
Authors of publication	Cametti, Massimo; Bargigia, Ilaria; Martí-Rujas, Javier
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	4
Pages of publication	1674 - 1678
a	19.7541 ± 0.0013 Å
b	7.1001 ± 0.0005 Å
c	28.463 ± 0.002 Å
α	90°
β	108.329 ± 0.004°
γ	90°
Cell volume	3789.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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