Crystallography Open Database

Information card for entry 7062476

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Coordinates	7062476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.62 H43.26 Cl7.26 Fe N10 O8
Calculated formula	C60.627 H43.254 Cl7.254 Fe N10 O8
Title of publication	Construction of spin crossover-fluorescence bifunctional iron(ii) complexes with modified bis(pyrazole)pyridine ligands
Authors of publication	Zhao, Guo-Hui; Zhang, Shi-Hui; Yi, Cheng; Liu, Tao; Meng, Yin-Shan
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	23
Pages of publication	10967 - 10972
a	13.5982 ± 0.0006 Å
b	14.4074 ± 0.0007 Å
c	17.2229 ± 0.0008 Å
α	96.619 ± 0.002°
β	102.049 ± 0.001°
γ	113.55 ± 0.002°
Cell volume	2949.8 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0594
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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