Crystallography Open Database

Information card for entry 2008858

2008857 << 2008858 >> 2008859

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Original IUCr paper	HTML

Structure parameters

Chemical name	Aqua(urea)hydroxo[9-(1,8-diaza-fluoren-9-ylidene)amino-1,8- diazafluorenato]zinc(II) Urea Solvate.
Formula	C24 H23 N9 O4 Zn
Calculated formula	C24 H23 N9 O4 Zn
SMILES	[Zn]12([OH2])(O)([O]=C(N)N)n3cccc4c5cccnc5c(N1c1c5ncccc5c5cccn2c15)c34.O=C(N)N
Title of publication	Aqua[9-(1,8-diazafluoren-9-ylidene)amino-1,8-diazafluorenato]hydroxo(urea)zinc(II) urea solvate
Authors of publication	Komen, Raymond P.; Miskelly, Gordon M.; Oliver, Allen; Rickard, Clifton E. F.
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	8
Pages of publication	1213 - 1215
a	7.8637 ± 0.0003 Å
b	16.0133 ± 0.0005 Å
c	17.9513 ± 0.0006 Å
α	90°
β	101.358 ± 0.001°
γ	90°
Cell volume	2216.23 ± 0.13 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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