Crystallography Open Database

Information card for entry 2003932

2003931 << 2003932 >> 2003933

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Coordinates	2003932.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H21 Ca N5 O13
Calculated formula	C18 H21 Ca N5 O13
Title of publication	Bis(2,4-dinitrophenolato)(triethanolamine)calcium(II)
Journal of publication	Acta Crystallographica C
Year of publication	1995
Journal volume	51
Pages of publication	1788 - 1791
a	22.935 ± 0.003 Å
b	8.746 ± 0.001 Å
c	11.702 ± 0.001 Å
α	90°
β	95.66 ± 0.01°
γ	90°
Cell volume	2335.9 ± 0.5 Å³
Cell temperature	298 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 significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.057
Goodness-of-fit parameter for significantly intense reflections	1.178
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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