Crystallography Open Database

Information card for entry 7220130

7220129 << 7220130 >> 7220131

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Coordinates	7220130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 N10 O8 Zn
Calculated formula	C6 H12 N10 O8 Zn
SMILES	[OH2][Zn](OC(=O)Cn1c(nnn1)N)(OC(=O)Cn1c(nnn1)N)([OH2])([OH2])[OH2]
Title of publication	Substituted group directed assembly of zinc coordination compounds based on bifunctional ligands, from mono, di to tristetrazole-carboxylate
Authors of publication	Li, Qiao-Yun; Tian, He; Li, Xiu Yun; Zou, Jian Hua; Mei, Guo Dong; Qiu, Li Jun; Wei, Bo; Yang, Gao-Wen
Journal of publication	RSC Adv.
Year of publication	2015
a	6.1124 ± 0.0012 Å
b	6.6178 ± 0.0013 Å
c	9.6089 ± 0.0019 Å
α	78.7 ± 0.03°
β	82.88 ± 0.03°
γ	75.59 ± 0.03°
Cell volume	368 ± 0.14 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.047
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.244
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
135729 (current)	2015-05-08	cif/ Adding structures of 7220130, 7220131, 7220132, 7220133 via cif-deposit CGI script.	7220130.cif