Crystallography Open Database

Information card for entry 7023686

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Structure parameters

Formula	C37 H51 Cl2 N9 O11 Zn
Calculated formula	C37 H51 Cl2 N9 O11 Zn
Title of publication	Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.
Authors of publication	Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	41
Pages of publication	14826 - 14835
a	37.4589 ± 0.001 Å
b	11.2206 ± 0.0003 Å
c	21.1473 ± 0.0008 Å
α	90°
β	93.228 ± 0.001°
γ	90°
Cell volume	8874.3 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1763
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1841
Weighted residual factors for all reflections included in the refinement	0.2272
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7023686.cif
179941	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/36.	7023686.cif
90608	2013-11-18	cif/ Adding structures of 7023686, 7023687, 7023688, 7023689, 7023690, 7023691, 7023692 via cif-deposit CGI script.	7023686.cif