Crystallography Open Database

Information card for entry 4336070

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Coordinates	4336070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H62 Cl N6 O16 P Zn2
Calculated formula	C53 H42 Cl N6 O16 P Zn2
SMILES	[Zn]1234[O]5[Zn]67(OP(=O)(O1)Oc1ccccc1)[N](CC5C[N]2(Cc1[n]3c2ccccc2cc1)Cc1[n]4c2ccccc2cc1)(Cc1[n]6c2ccccc2cc1)Cc1[n]7c2ccccc2cc1.Cl(=O)(=O)(=O)[O-].O1CCCC1.O.O.O.O.O.O
Title of publication	Quantitative Fluorescent Detection of Pyrophosphate with Quinoline-Ligated Dinuclear Zinc Complexes
Authors of publication	Yuji Mikata; Anna Ugai; Risa Ohnishi; Hideo Konno
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10223 - 10225
a	30.962 ± 0.008 Å
b	15.421 ± 0.004 Å
c	23.672 ± 0.006 Å
α	90°
β	98.956 ± 0.0018°
γ	90°
Cell volume	11165 ± 5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179463 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/60.	4336070.cif
102040	2014-02-19	cif/ Adding structures of 4336070 via cif-deposit CGI script.	4336070.cif