Crystallography Open Database

Information card for entry 4346684

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Coordinates	4346684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H176 Br12 Co6 O40 P12
Calculated formula	C123 H176 Br12 Co6 O40 P12
Title of publication	Beyond Single-Wavelength SHG Measurements: Spectrally-Resolved SHG Studies of Tetraphosphonate Ester Coordination Polymers.
Authors of publication	Zaręba, Jan K; Białek, Michał J; Janczak, Jan; Nyk, Marcin; Zoń, Jerzy; Samoć, Marek
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10568 - 10575
a	20.7866 ± 0.001 Å
b	13.3229 ± 0.0006 Å
c	30.693 ± 0.0015 Å
α	90°
β	100.646 ± 0.005°
γ	90°
Cell volume	8353.7 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1886
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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