Crystallography Open Database

Information card for entry 1569627

Preview

Coordinates	1569627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H98 Co5 O28 Pb2
Calculated formula	C70 H98 Co5 O28 Pb2
SMILES	CC1=CC(C)=[O][Co]2(O1)([O]1C(C)=CC(C)=[O][Pb]31[O]=C(C=C(C)[O]3[Co]13456[O]7C(=CC(=[O][Co]857([O]=C(C)C=C(O8)C)([O]3C(=CC(=[O]1)C)C)[O]6C(=CC(=[O]4)C)C)C)C)C)(OC(=CC(C)=[O]2)C)[O]1C(C)=CC(C)=[O][Pb]21[O]=C(C=C(C)[O]2[Co]12345[O]6C(=CC(=[O][Co]746([O]=C(C)C=C(O7)C)([O]2C(=CC(=[O]1)C)C)[O]5C(=CC(=[O]3)C)C)C)C)C
Title of publication	Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14]
Authors of publication	Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V.
Journal of publication	Crystals
Year of publication	2023
Journal volume	13
Journal issue	7
Pages of publication	1089
a	23.8452 ± 0.0006 Å
b	10.7063 ± 0.0003 Å
c	16.3561 ± 0.0004 Å
α	90°
β	97.096 ± 0.001°
γ	90°
Cell volume	4143.63 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0225
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.49594 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285544 (current)	2023-08-05	cif/ Adding structures of 1569627 via cif-deposit CGI script.	1569627.cif