Crystallography Open Database

Information card for entry 7151560

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Coordinates	7151560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H40 Cl4 N8 O8 Zn2
Calculated formula	C16 H40 Cl4 N8 O8 Zn2
Title of publication	Selective recognition of thymidylylthymidine (TpT) and antitumor effects of a macrocyclic dizinc(II) complex.
Authors of publication	Gao, Jian; Reibenspies, Joseph H.; Martell, Arthur E.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2003
Journal volume	1
Journal issue	23
Pages of publication	4242 - 4247
a	25.6379 ± 0.0012 Å
b	9.2441 ± 0.0004 Å
c	12.2274 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2897.9 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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