Crystallography Open Database

Information card for entry 7014269

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Structure parameters

Formula	C25 H31 Cl2 N7 O9 Zn
Calculated formula	C25 H31 Cl2 N7 O9 Zn
Title of publication	Investigating the effect of hydrogen bonding environments in amide cleavage reactions at zinc(II) complexes with intramolecular amide oxygen co-ordination.
Authors of publication	Mareque Rivas, Juan C.; Salvagni, Emiliano; Parsons, Simon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	24
Pages of publication	4185 - 4192
a	9.8999 ± 0.0004 Å
b	11.5861 ± 0.0004 Å
c	14.3217 ± 0.0005 Å
α	72.33 ± 0.001°
β	75.593 ± 0.001°
γ	86.876 ± 0.002°
Cell volume	1515.6 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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