Crystallography Open Database

Information card for entry 7719681

7719680 << 7719681 >> 7719682

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Coordinates	7719681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H95 B6 Cl4 N10 O6
Calculated formula	C128 H91 B6 N10 O6
Title of publication	Imidazo[1,5]carbachlorin as a hybrid ligand.
Authors of publication	Szydełko, Kinga; Koniarz, Sebastian; Białek, Michał J; Chmielewski, Piotr J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	44
Pages of publication	16461 - 16474
a	17.828 ± 0.0003 Å
b	17.8484 ± 0.00018 Å
c	18.3446 ± 0.0002 Å
α	73.528 ± 0.001°
β	71.5735 ± 0.0012°
γ	88.9914 ± 0.0011°
Cell volume	5294.04 ± 0.13 Å³
Cell temperature	99.99 ± 0.17 K
Ambient diffraction temperature	99.99 ± 0.17 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	0.0575
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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