Crystallography Open Database

Information card for entry 7220914

7220913 << 7220914 >> 7220915

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Coordinates	7220914.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4
Formula	C37.5 H29 N6.5 O6 Zn
Calculated formula	C37.5 H29 N6.5 O6 Zn
Title of publication	Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands
Authors of publication	Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	30
Pages of publication	5717
a	25.9109 ± 0.001 Å
b	18.3337 ± 0.0007 Å
c	14.7137 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6989.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.2049
Residual factor for significantly intense reflections	0.0994
Weighted residual factors for significantly intense reflections	0.2115
Weighted residual factors for all reflections included in the refinement	0.2613
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	No
Has F_obs	No

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