Crystallography Open Database

Information card for entry 4346683

Preview

Coordinates	4346683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H168 Cl12 Co6 O40 P12
Calculated formula	C123 H168 Cl12 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	20.79 ± 0.003 Å
b	13.234 ± 0.002 Å
c	30.305 ± 0.003 Å
α	90°
β	100.99 ± 0.01°
γ	90°
Cell volume	8185 ± 1.9 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	0.2003
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4346683.html