Crystallography Open Database

Information card for entry 4119359

4119358 << 4119359 >> 4119360

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Coordinates	4119359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H34 N6 O9 Zn
Calculated formula	C26 H22 N6 O6 Zn
Title of publication	Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates
Authors of publication	Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	2723 - 2733
a	26.419 ± 0.004 Å
b	26.419 ± 0.004 Å
c	21.487 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	12988 ± 4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1593
Residual factor for significantly intense reflections	0.1377
Weighted residual factors for significantly intense reflections	0.3237
Weighted residual factors for all reflections included in the refinement	0.3421
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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