Crystallography Open Database

Information card for entry 4110458

Preview

Coordinates	4110458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H21 Cl N6 Zn
Calculated formula	C28.5 H21 Cl N6 Zn
Title of publication	Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces
Authors of publication	Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	3179 - 3189
a	17.119 ± 0.003 Å
b	11.551 ± 0.002 Å
c	14.902 ± 0.003 Å
α	90°
β	118.09 ± 0.03°
γ	90°
Cell volume	2599.6 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for all reflections	0.1679
Weighted residual factors for significantly intense reflections	0.139
Goodness-of-fit parameter for all reflections	0.899
Goodness-of-fit parameter for significantly intense reflections	0.918
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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