Crystallography Open Database

Information card for entry 7052400

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Coordinates	7052400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Cd2 N12 O15
Calculated formula	C38 H42 Cd2 N12 O15
Title of publication	Synthesis of pyridazinyl ligands for multimetallic complexes
Authors of publication	Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	10
Pages of publication	1498
a	9.4936 ± 0.0019 Å
b	10.691 ± 0.002 Å
c	22.746 ± 0.005 Å
α	85.21 ± 0.03°
β	85.11 ± 0.03°
γ	74.06 ± 0.03°
Cell volume	2207.4 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.6749 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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