Crystallography Open Database

Information card for entry 7003777

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Coordinates	7003777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H43 Ca I N2 O3
Calculated formula	C25 H43 Ca I N2 O3
Title of publication	Aminotroponiminate calcium and strontium complexes
Authors of publication	Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	21
Pages of publication	2839 - 2843
a	10.4679 ± 0.0007 Å
b	15.1307 ± 0.001 Å
c	19.579 ± 0.0014 Å
α	69.776 ± 0.005°
β	81.096 ± 0.005°
γ	88.2 ± 0.005°
Cell volume	2874 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0647
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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