Crystallography Open Database

Information card for entry 8105554

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Coordinates	8105554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H108 Cl4 Gd4 N8 O22
Calculated formula	C102 H108 Cl4 Gd4 N8 O22
Title of publication	Crystal structure of bis(μ2-3,5-dichloro-2-oxidobenzoato-κ4 O,O′:O′,O′′)-hexakis(μ2-pivalato-κ2 O:O′)-bis(pivalato-κ2 O,O′)-tetrakis(1,10-phenanthroline-κ2 N,N′)tetragadolinium(III), C102H108Cl4Gd4N8O22
Authors of publication	Yuhua, Guo; Junwei, Zhang; Hao, Liang; Yating, Fang; Najie, Zhuang; Youzhu, Yu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	97 - 99
a	11.4271 ± 0.0018 Å
b	12.779 ± 0.002 Å
c	20.102 ± 0.003 Å
α	76.6197 ± 0.0017°
β	86.9059 ± 0.0018°
γ	71.446 ± 0.0018°
Cell volume	2706.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0491
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276380 (current)	2022-06-29	cif/ Adding structures of 8105554 via cif-deposit CGI script.	8105554.cif