Crystallography Open Database

Information card for entry 7219419

7219418 << 7219419 >> 7219420

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Structure parameters

Formula	C52 H42 N6 O12 Zn2
Calculated formula	C52 H42 N6 O12 Zn2
SMILES	[Zn]123([O]=C(C)O[Zn]([O]=C(O1)C)(OC(=[O]2)C)([O]=C(O3)C)[n]1ccc(cc1)c1nc(cc(c1)c1cc2OCOc2cc1)c1ccncc1)[n]1ccc(cc1)c1nc(cc(c1)c1ccc2OCOc2c1)c1ccncc1
Title of publication	Diverse zinc(II) coordination assembles built on divergent 4,2':6',4''-terpyridine derivatives: syntheses, structures and catalytic properties
Authors of publication	Zhang, Guoqi; Chen, Wenbo; Golen, James A.; Rheingold, Arnold L.; Jia, Yi-Xia; Brathwaite, Nyeisha; Lo, Wenfeng
Journal of publication	RSC Adv.
Year of publication	2015
a	10.8145 ± 0.0015 Å
b	13.5094 ± 0.0019 Å
c	16.68 ± 0.002 Å
α	102.93 ± 0.004°
β	93.543 ± 0.004°
γ	102.85 ± 0.004°
Cell volume	2299.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219419.cif
180525	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219419.cif
130165	2015-01-28	cif/ Adding structures of 7219416, 7219417, 7219418, 7219419, 7219420 via cif-deposit CGI script.	7219419.cif